(1s 2 2s 2 2p 6 3p 1 ) 2 P Si 3+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2131.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 1.113012 | -.07487272 |
| 2 | 3p | 1.755262 | -.99554016 |
| 3 | 2p | 3.609750 | .23681512 |
| 4 | 2p | 7.032592 | .12723495 |
| 5 | 3p | 9.820479 | -.01183245 |
| 6 | 4p | 24.491843 | -.00043736 |
| 7 | 5p | 1.171884 | .00331347 |
| 8 | 3p | 35.319730 | -.00004070 |
| ORB.ENERGY,a.u. | -1.320700 | ||
| NORM | 1.000000 | < R > | 2.082129 | < R2 > | 4.960081 | < 1/R > | .632422 | < 1/R**2 > | .885784 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 7.362841 | .46354310 |
| 2 | 3p | 5.592660 | .50632505 |
| 3 | 4p | 4.327763 | .18904374 |
| 4 | 5p | 3.199420 | .03560826 |
| 5 | 2p | 15.313013 | .00648357 |
| 6 | 5p | 30.806794 | -.00033277 |
| 7 | 3p | 2.696824 | -.07905870 |
| 8 | 4p | 41.491974 | -.00006959 |
| 9 | 4p | 1.345761 | .00016720 |
| ORB.ENERGY,a.u. | -5.466800 | ||
| NORM | 1.000000 | < R > | .532212 | < R2 > | .354443 | < 1/R > | 2.466334 | < 1/R**2 > | 8.577727 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.470210 | .34791561 |
| 2 | 2s | 5.537214 | -.82162887 |
| 3 | 3s | 4.623145 | -.30847699 |
| 4 | 4s | 18.454032 | .00649073 |
| 5 | 3s | 19.442724 | .00318363 |
| 6 | 4s | 2.696600 | -.00278964 |
| 7 | 5s | 37.213095 | .00021718 |
| 8 | 5s | 2.533064 | .00068944 |
| 9 | 2s | 145.532446 | .00000040 |
| ORB.ENERGY,a.u. | -7.379900 | ||
| NORM | 1.000000 | < R > | .562696 | < R2 > | .376741 | < 1/R > | 2.590714 | < 1/R**2 > | 27.692634 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.587088 | 1.01395816 |
| 2 | 2s | 19.352538 | -.02231321 |
| 3 | 3s | 9.791443 | .02018182 |
| 4 | 4s | 53.920071 | -.00038100 |
| 5 | 4s | 11.300569 | .00252313 |
| 6 | 5s | 70.516143 | .00011287 |
| 7 | 5s | 11.950968 | -.00856903 |
| 8 | 2s | 159.457385 | .00000136 |
| 9 | 2s | 4.953351 | .00069946 |
| ORB.ENERGY,a.u. | -69.510000 |
| NORM | 1.000000 | < R > | .111431 | < R2 > | .016701 | < 1/R > | 13.581177 | < 1/R**2 > | 372.386104 |
Total Energy= -286.50122658 a.u.
Kinetic Energy= 286.50123276 a.u.
Potential Energy= -573.00245933 a.u.
Virial Ratio = -1.99999998